SCHEMBL17359539

SCHEMBL17359539

CC1(OC(=O)c2ccccc2)C(OC(=O)c2ccccc2)O[C@@](COC(=O)c2ccccc2)(C(F)F)[C@H]1OC(=O)c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.36
▸ GAA P10253 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ CHRNA7 P36544 2/20 0.34
▸ HTR3E A5X5Y0 1/20 0.34
▸ HTR3B O95264 1/20 0.34
▸ HTR3A P46098 1/20 0.34
▸ HTR3D Q70Z44 1/20 0.34
▸ HTR3C Q8WXA8 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ TDP1 Q9NUW8 2/20 0.33
▸ TSHR P16473 2/20 0.33
▸ CHRNB2 P17787 1/20 0.33
▸ CHRNA5 P30532 1/20 0.33
▸ CHRNA4 P43681 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ HIF1A Q16665 1/20 0.33
▸ SLC6A2 P23975 1/20 0.33
▸ SLC6A3 Q01959 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL16644530 1.00 ALDH1A1 (0.36) ALDH1A1GAAMAPTLMNACHRNA7
SCHEMBL16640066 0.81 GAA (0.36) ALDH1A1GAAMAPTLMNACHRNA7
SCHEMBL17359618 0.79 POLB (0.37) ALDH1A1GAACHRNA7HTR3EHTR3B
SCHEMBL20754398 0.79 GAA (0.38) ALDH1A1GAALMNACHRNA7HTR3E
SCHEMBL18879964 0.79 GAA (0.36) ALDH1A1GAALMNACHRNA7HTR3E
SCHEMBL18877386 0.78 GAA (0.38) ALDH1A1GAALMNACHRNA7HTR3E
SCHEMBL17860796 0.74 ALDH1A1 (0.41) ALDH1A1GAALMNAL3MBTL1TDP1
SCHEMBL16647588 0.73 ALDH1A1 (0.39) ALDH1A1GAALMNATDP1TSHR
SCHEMBL16644554 0.73 ALDH1A1 (0.39) ALDH1A1GAALMNATDP1TSHR
SCHEMBL17863953 0.73 MAPT (0.41) ALDH1A1MAPTLMNACHRNA7HTR3E

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150366888-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF Janssen Pharmaceuticals, Inc. 2015-12-24 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20150366888-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF PNP, NT5C3B, TYMP ALDH1A1 2325/4885GAA 535/4885MAPT 3605/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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